2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoic acid

Systemtic Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)carbonylamino]propanoylamino]-4-methylsulfanyl-butanoic acid Openeye Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-4-methylsulfanyl-butanoic acid CAS Name: 2-[[2-[[(1-methyl-9H-pyrido[3,4-b]indol-3-yl)-oxomethyl]amino]-1-oxopropyl]amino]-4-(methylthio)butanoic acid IUPAC Name: 2-[2-[(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)amino]propanoylamino]-4-methylsulfanylbutanoic acid Traditional Name: 2-[2-[(1-methyl-9H-$b-carboline-3-carbonyl)amino]propanoylamino]-4-(methylthio)butyric acid Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=C2C(=CC(=N1)C(=O)NC(C)C(=O)NC(CCSC)C(=O)O)C3=CC=CC=C3N2

InChI

InChI=1S/C21H24N4O4S/c1-11-18-14(13-6-4-5-7-15(13)24-18)10-17(22-11)20(27)23-12(2)19(26)25-16(21(28)29)8-9-30-3/h4-7,10,12,16,24H,8-9H2,1-3H3,(H,23,27)(H,25,26)(H,28,29)